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RESEARCH PRODUCT

Spectroscopy of XY3Z (C3v) radicals with an odd number of electrons: A tensorial formalism adapted to the group chain

Vincent BoudonA. El HilaliMichel Loete

subject

Physics010304 chemical physicsRadicalElectron010402 general chemistry01 natural sciencesAtomic and Molecular Physics and Optics0104 chemical sciencesFormalism (philosophy of mathematics)Quantum mechanics0103 physical sciencesHalf-integerPhysical and Theoretical ChemistrySpectroscopySpectroscopySpecial unitary groupMathematical physics

description

Abstract A tensorial formalism adapted to the case of XY 3 Z symmetric tops with half integer angular momenta is proposed as an extension of the formalism for the group chain O  (3) ⊃  C ∞ v  ⊃  C 3 v developed in a recent paper [A. El Hilali, V. Boudon, M. Loete, J. Mol. Spectrosc. 234 (2005) 113–121]. We use the chain SU ( 2 ) ⊗ C I ⊃ C ∞ v S ⊃ C 3 v S , where G S ( G being C ∞ v or C 3 v ) is the G point group with its spinorial representations. Coupling coefficients and formulas for the computation of matrix elements of the tensor operators are derived for this chain. A deduction of coupling coefficients (Clebsch-Gordan, 6 C , 9 C , …) and similar formulas is proposed for the group C 3 v S itself.

yearjournalcountryeditionlanguage
2006-09-01Journal of Molecular Spectroscopy
https://doi.org/10.1016/j.jms.2006.05.016